SCHEMBL23276622

SCHEMBL23276622

Cn1cc(Nc2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.48
▸ JAK1 P23458 13/20 0.48
▸ TYK2 P29597 13/20 0.48
▸ BTK Q06187 3/20 0.47
▸ CD69 Q07108 1/20 0.46
▸ GPR119 Q8TDV5 4/20 0.45
▸ JAK3 P52333 4/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23277048 0.87 JAK2 (0.54) JAK2JAK1TYK2BTKJAK3
SCHEMBL23299618 0.86 JAK2 (0.45) JAK2JAK1TYK2BTKCD69
SCHEMBL23299633 0.85 JAK1 (0.60) JAK2JAK1TYK2BTKJAK3
SCHEMBL23276742 0.83 JAK1 (0.53) JAK2JAK1TYK2BTKJAK3
SCHEMBL23276861 0.83 JAK1 (0.51) JAK2JAK1TYK2BTKJAK3
SCHEMBL23276656 0.83 BTK (0.51) JAK2JAK1TYK2BTKCD69
SCHEMBL23299629 0.82 JAK1 (0.53) JAK2JAK1TYK2BTKCD69
SCHEMBL23277043 0.82 JAK1 (0.49) JAK2JAK1TYK2BTKJAK3
SCHEMBL23276550 0.81 JAK1 (0.53) JAK2JAK1TYK2BTKJAK3
SCHEMBL23276553 0.81 JAK1 (0.53) JAK2JAK1TYK2BTKJAK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021078021-A1 SMALL MOLECULAR COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 — — WO disclosed
WO-2021078021-A1 SMALL MOLECULAR COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 — — WO disclosed
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